Geometry & MOs

Info

ID:	235049
PubChem CID:	92303948
Reduced:	FN2O3C25H27 (1)
Stoich.:	AB2C3D25E27 (1)
Weight, g/mol:	422.200571
ΔH_f, kcal/mol:	-138.99
Dipole, Da:	5.26
IP(EA), eV:	-8.52(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[(3S)-3-(3-fluorophenyl)-3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)C(=O)C[C@@H](C2=CC(=CC=C2)F)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations